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Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate - CAS 881476-28-4

Catalog:	BB052841
Product Name:	Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
CAS:	881476-28-4
Synonyms:	ethyl3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxylate
Molecular Weight:	340.26
Molecular Formula:	C14H11F3N4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)CN2C3=CC=CC=C3N=C2C(F)(F)F
InChI:	InChI=1S/C14H11F3N4O3/c1-2-23-12(22)11-19-10(20-24-11)7-21-9-6-4-3-5-8(9)18-13(21)14(15,16)17/h3-6H,2,7H2,1H3
InChI Key:	DQHBQTGRUBXLJA-UHFFFAOYSA-N
Boiling Point:	438.7±55.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

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Related Functional Groups

Benzimidazoles

3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-propyl-1H-pyrazol-4-yl]-1-benzylpyrrolidine-2,5-dione
[1245642-98-1]
4-Bromo-6-fluorobenzimidazole
[220495-56-7]
4-(1H-Benzimidazol-1-yl)aniline dihydrochloride
[108662-49-3]
2-Chloro-5-fluorobenzimidazole
[673487-32-6]
4-methyl-1H-1,3-benzodiazole-2-carboxylic acid
[685107-38-4]
4-Methylpyrimido[1,2-a]benzimidazole-3-carboxylic acid

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[37760-54-6]
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
[18212-20-9]
Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
[938002-50-7]
N-(2-Aminoethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

Complexity:	465
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.07832471
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.07832471
Rotatable Bond Count:	5
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8